2D structurePubChem CID 21743
Identita
Cefalonium
CAS 5575-21-3 · C20H18N4O5S2
01Identita
| Lazychem ID | LC-100771 |
|---|---|
| CAS RN | 5575-21-3 |
| PubChem CID | 21743 |
| Molecular formula | C20H18N4O5S2 |
| Molecular weight | 458.5 g/mol |
| IUPAC name | (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChIKey | FMZXNVLFJHCSAF-DNVCBOLYSA-N |
02Štruktúra a stereochémia
2D structurePubChem CID 21743
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N |
|---|---|
| InChI | Neuvedené |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Stav v Indii
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Názvy a vzťahy
API a materské liečivo
Neuvedené
Názvy a vzťahy
- CEFALONIUM
- Cephalonium
- 5575-21-3
- Lilly 41071
- DTXSID5045388
- NSC-759292
- K2P920217W
- (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- DTXCID3025388
- 7-(alpha-Thienylacetamido)-3-(4-carbamoylpyridinomethyl)-3-cephem-4-carboxylic acid
- Cepravin dry cow
- RefChem:124197
06Zdroje
- S01PubChem CID 21743
Structure and machine-readable chemical identifiers.